Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5770    0.2280   -0.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943   -0.4776    0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245   -0.1075   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373   -0.7037    0.2898 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -0.0553   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154    1.0318   -1.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    1.9017   -1.7395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    0.9510   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8651   -1.0540   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9123    0.5351    0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008    1.0633   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -0.0398   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634   -1.3303    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7491   -0.6156   -1.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2549   -1.7882   -0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -1.6477   -1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4981    1.3611    0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983   -0.2534    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162    1.0010    1.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers